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PubMed code 26810710

Compile data set for download or QSAR
Found 116 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143988
PNG
(CHEMBL3759518)
Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
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3.60n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM95979
PNG
(2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...)
Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2
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3.90n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143989
PNG
(CHEMBL3759567)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3
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3.90n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143991
PNG
(CHEMBL3758428)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1
Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3
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4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143993
PNG
(CHEMBL3758979)
Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H
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4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143902
PNG
(CHEBI:74235 | CHEMBL79350)
Show SMILES O=C1NCc2ccccc12
Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
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4.10n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143990
PNG
(CHEMBL3759876)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1
Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3
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4.10n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143986
PNG
(CHEMBL3758420)
Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3
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4.30n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143980
PNG
(CHEMBL3758923)
Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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4.30n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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4.30n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143979
PNG
(CHEMBL3759331)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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4.40n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143985
PNG
(CHEMBL3758373)
Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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4.5n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143977
PNG
(CHEMBL3760060)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2
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4.70n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143984
PNG
(CHEMBL3759099)
Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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4.90n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143943
PNG
(CHEMBL3759375)
Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3
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5.10n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143992
PNG
(CHEMBL3760113)
Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3
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5.5n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143987
PNG
(CHEMBL3760047)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O
Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143982
PNG
(CHEMBL3759447)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3
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6n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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6n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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15n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143904
PNG
(CHEMBL1489759)
Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3
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16n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143907
PNG
(CHEMBL3759629)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2
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17n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143993
PNG
(CHEMBL3758979)
Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H
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18n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143907
PNG
(CHEMBL3759629)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2
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19n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143979
PNG
(CHEMBL3759331)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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19n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143980
PNG
(CHEMBL3758923)
Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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22n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143983
PNG
(CHEMBL1391313)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2
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23n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143906
PNG
(CHEMBL3758327)
Show SMILES Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H13NO3S/c1-11-5-4-6-12(9-11)10-16-15(17)13-7-2-3-8-14(13)20(16,18)19/h2-9H,10H2,1H3
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26n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143991
PNG
(CHEMBL3758428)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1
Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3
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26n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143990
PNG
(CHEMBL3759876)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1
Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3
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27n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143981
PNG
(CHEMBL3759882)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10N2O5S/c17-14-12-3-1-2-4-13(12)22(20,21)15(14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
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29n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143983
PNG
(CHEMBL1391313)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2
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41n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143978
PNG
(CHEMBL3759608)
Show SMILES Fc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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41n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50143903
PNG
(CHEMBL3125555)
Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)
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42n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143977
PNG
(CHEMBL3760060)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2
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51n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143990
PNG
(CHEMBL3759876)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1
Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3
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140n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143987
PNG
(CHEMBL3760047)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O
Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3
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161n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143902
PNG
(CHEBI:74235 | CHEMBL79350)
Show SMILES O=C1NCc2ccccc12
Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
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174n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143906
PNG
(CHEMBL3758327)
Show SMILES Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H13NO3S/c1-11-5-4-6-12(9-11)10-16-15(17)13-7-2-3-8-14(13)20(16,18)19/h2-9H,10H2,1H3
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184n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM95979
PNG
(2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...)
Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2
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191n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143988
PNG
(CHEMBL3759518)
Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
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196n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143986
PNG
(CHEMBL3758420)
Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3
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210n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143904
PNG
(CHEMBL1489759)
Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3
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221n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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223n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143943
PNG
(CHEMBL3759375)
Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3
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234n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143985
PNG
(CHEMBL3758373)
Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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239n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143984
PNG
(CHEMBL3759099)
Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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261n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143992
PNG
(CHEMBL3760113)
Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3
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265n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143903
PNG
(CHEMBL3125555)
Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)
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310n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143990
PNG
(CHEMBL3759876)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1
Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3
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318n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143981
PNG
(CHEMBL3759882)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10N2O5S/c17-14-12-3-1-2-4-13(12)22(20,21)15(14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
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324n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143978
PNG
(CHEMBL3759608)
Show SMILES Fc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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539n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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616n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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633n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143983
PNG
(CHEMBL1391313)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2
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1.11E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143981
PNG
(CHEMBL3759882)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10N2O5S/c17-14-12-3-1-2-4-13(12)22(20,21)15(14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
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1.17E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143982
PNG
(CHEMBL3759447)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3
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1.34E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143977
PNG
(CHEMBL3760060)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2
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1.35E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143904
PNG
(CHEMBL1489759)
Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3
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1.37E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM95979
PNG
(2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...)
Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2
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1.48E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143906
PNG
(CHEMBL3758327)
Show SMILES Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H13NO3S/c1-11-5-4-6-12(9-11)10-16-15(17)13-7-2-3-8-14(13)20(16,18)19/h2-9H,10H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143982
PNG
(CHEMBL3759447)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3
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1.57E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143989
PNG
(CHEMBL3759567)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3
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1.75E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143989
PNG
(CHEMBL3759567)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3
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2.05E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143979
PNG
(CHEMBL3759331)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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2.36E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES CC1=CC(=O)[N-]S(=O)(=O)O1
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
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2.41E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143978
PNG
(CHEMBL3759608)
Show SMILES Fc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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2.48E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50143989
PNG
(CHEMBL3759567)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3
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2.48E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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3.58E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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5.95E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143988
PNG
(CHEMBL3759518)
Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
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9.72E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143991
PNG
(CHEMBL3758428)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1
Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143907
PNG
(CHEMBL3759629)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143977
PNG
(CHEMBL3760060)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143981
PNG
(CHEMBL3759882)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10N2O5S/c17-14-12-3-1-2-4-13(12)22(20,21)15(14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143943
PNG
(CHEMBL3759375)
Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143982
PNG
(CHEMBL3759447)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143983
PNG
(CHEMBL1391313)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143984
PNG
(CHEMBL3759099)
Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143902
PNG
(CHEBI:74235 | CHEMBL79350)
Show SMILES O=C1NCc2ccccc12
Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143987
PNG
(CHEMBL3760047)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O
Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143988
PNG
(CHEMBL3759518)
Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143985
PNG
(CHEMBL3758373)
Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143984
PNG
(CHEMBL3759099)
Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143986
PNG
(CHEMBL3758420)
Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM95979
PNG
(2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...)
Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143904
PNG
(CHEMBL1489759)
Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143991
PNG
(CHEMBL3758428)
Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1
Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143992
PNG
(CHEMBL3760113)
Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143987
PNG
(CHEMBL3760047)
Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O
Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143907
PNG
(CHEMBL3759629)
Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143978
PNG
(CHEMBL3759608)
Show SMILES Fc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143902
PNG
(CHEBI:74235 | CHEMBL79350)
Show SMILES O=C1NCc2ccccc12
Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143943
PNG
(CHEMBL3759375)
Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143906
PNG
(CHEMBL3758327)
Show SMILES Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C15H13NO3S/c1-11-5-4-6-12(9-11)10-16-15(17)13-7-2-3-8-14(13)20(16,18)19/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143993
PNG
(CHEMBL3758979)
Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143992
PNG
(CHEMBL3760113)
Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1
Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143986
PNG
(CHEMBL3758420)
Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1
Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143980
PNG
(CHEMBL3758923)
Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143979
PNG
(CHEMBL3759331)
Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM16417
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143993
PNG
(CHEMBL3758979)
Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143980
PNG
(CHEMBL3758923)
Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143985
PNG
(CHEMBL3758373)
Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1
Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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1.85E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES CC1=CC(=O)[N-]S(=O)(=O)O1
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
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>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES CC1=CC(=O)[N-]S(=O)(=O)O1
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
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>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES CC1=CC(=O)[N-]S(=O)(=O)O1
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
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>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50143903
PNG
(CHEMBL3125555)
Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)
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7.80E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50143903
PNG
(CHEMBL3125555)
Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)
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1.10E+5n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%